1-O-tert-butyl 2-O-ethyl (1R)-cyclopent-2-ene-1,2-dicarboxylate

C13H20O4 — CID 135053852

IUPAC1-O-tert-butyl 2-O-ethyl (1R)-cyclopent-2-ene-1,2-dicarboxylate
SMILESCCOC(=O)C1=CCC[C@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C13H20O4/c1-5-16-11(14)9-7-6-8-10(9)12(15)17-13(2,3)4/h7,10H,5-6,8H2,1-4H3/t10-/m1/s1
InChIKeyPRDUXPPKLFXLBS-SNVBAGLBSA-N
MW240.30 g/mol
LogP2.23
Rot. Bonds3

About 1-O-tert-butyl 2-O-ethyl (1R)-cyclopent-2-ene-1,2-dicarboxylate

1-O-tert-butyl 2-O-ethyl (1R)-cyclopent-2-ene-1,2-dicarboxylate (PubChem CID 135053852) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-O-tert-butyl 2-O-ethyl (1R)-cyclopent-2-ene-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 2-O-ethyl (1R)-cyclopent-2-ene-1,2-dicarboxylate
PubChem CID135053852
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name1-O-tert-butyl 2-O-ethyl (1R)-cyclopent-2-ene-1,2-dicarboxylate
SMILESCCOC(=O)C1=CCC[C@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C13H20O4/c1-5-16-11(14)9-7-6-8-10(9)12(15)17-13(2,3)4/h7,10H,5-6,8H2,1-4H3/t10-/m1/s1
InChIKeyPRDUXPPKLFXLBS-SNVBAGLBSA-N
XLogP2.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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(4E,8S,9S)-5-methyl-8-prop-1-en-2-yl-10-oxabicyclo[7.2.1]dodeca-1(12),4-dien-11-one
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Sarcostolide A
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Sarcostolide D
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Sarcostolide C
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Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 2-O-ethyl (1R)-cyclopent-2-ene-1,2-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 2-O-ethyl (1R)-cyclopent-2-ene-1,2-dicarboxylate (CID 135053852) is 1-O-tert-butyl 2-O-ethyl (1R)-cyclopent-2-ene-1,2-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 2-O-ethyl (1R)-cyclopent-2-ene-1,2-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 2-O-ethyl (1R)-cyclopent-2-ene-1,2-dicarboxylate is CCOC(=O)C1=CCC[C@H]1C(=O)OC(C)(C)C.
What is the InChIKey of 1-O-tert-butyl 2-O-ethyl (1R)-cyclopent-2-ene-1,2-dicarboxylate?
The InChIKey is PRDUXPPKLFXLBS-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20O4/c1-5-16-11(14)9-7-6-8-10(9)12(15)17-13(2,3)4/h7,10H,5-6,8H2,1-4H3/t10-/m1/s1.
What are the key properties of 1-O-tert-butyl 2-O-ethyl (1R)-cyclopent-2-ene-1,2-dicarboxylate?
1-O-tert-butyl 2-O-ethyl (1R)-cyclopent-2-ene-1,2-dicarboxylate has a molecular weight of 240.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 2-O-ethyl (1R)-cyclopent-2-ene-1,2-dicarboxylate is sourced from PubChem (CID 135053852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).